1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole

C23H24N2OS — CID 19242980

IUPAC1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
SMILESCc1ccc(OCCCn2c(Cc3cccs3)nc3ccccc32)cc1C
InChIInChI=1S/C23H24N2OS/c1-17-10-11-19(15-18(17)2)26-13-6-12-25-22-9-4-3-8-21(22)24-23(25)16-20-7-5-14-27-20/h3-5,7-11,14-15H,6,12-13,16H2,1-2H3
InChIKeyRLIGFOHQRFZKMG-UHFFFAOYSA-N
MW376.53 g/mol
LogP5.77
Rot. Bonds7

About 1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole

1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole (PubChem CID 19242980) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
PubChem CID19242980
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
SMILESCc1ccc(OCCCn2c(Cc3cccs3)nc3ccccc32)cc1C
InChIInChI=1S/C23H24N2OS/c1-17-10-11-19(15-18(17)2)26-13-6-12-25-22-9-4-3-8-21(22)24-23(25)16-20-7-5-14-27-20/h3-5,7-11,14-15H,6,12-13,16H2,1-2H3
InChIKeyRLIGFOHQRFZKMG-UHFFFAOYSA-N
XLogP5.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16995599
1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242984
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242940
N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973816
1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242958
2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 16995768
1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995937
3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82144722
4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine
CID 82144723
1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole
CID 16996918
1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole
CID 19243007
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16997226

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole?
The IUPAC name of 1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole (CID 19242980) is 1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole.
What is the SMILES notation for 1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole?
The canonical SMILES for 1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole is Cc1ccc(OCCCn2c(Cc3cccs3)nc3ccccc32)cc1C.
What is the InChIKey of 1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole?
The InChIKey is RLIGFOHQRFZKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-17-10-11-19(15-18(17)2)26-13-6-12-25-22-9-4-3-8-21(22)24-23(25)16-20-7-5-14-27-20/h3-5,7-11,14-15H,6,12-13,16H2,1-2H3.
What are the key properties of 1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole?
1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole has a molecular weight of 376.53 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole is sourced from PubChem (CID 19242980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).